SCHEMBL451054

SCHEMBL451054

CN(NS(=O)(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)Oc1ccc(N2CCOCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
MAPT P10636 8/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 1/20 0.40
EPHX1 P07099 1/20 0.40
KMT2A Q03164 4/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
ALOX12 P18054 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 2/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
KDM4E B2RXH2 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL449157 0.90 HSP90AA1 (0.51) HSP90AA1HSP90AB1MAPTSMN1; SMN2ALDH1A1
SCHEMBL445821 0.86 MAPT (0.48) HSP90AA1HSP90AB1MAPTALDH1A1RAB9A
SCHEMBL464655 0.78 HSP90AA1 (0.68) HSP90AA1HSP90AB1MAPTSMN1; SMN2ALDH1A1
SCHEMBL451630 0.77 HSP90AA1 (0.47) HSP90AA1HSP90AB1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL446362 0.75 HSP90AA1 (0.63) HSP90AA1HSP90AB1MAPTALDH1A1KMT2A
SCHEMBL449259 0.75 HSP90AA1 (0.54) HSP90AA1HSP90AB1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL447103 0.74 HSP90AA1 (0.53) HSP90AA1HSP90AB1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL446744 0.73 HSP90AA1 (0.51) HSP90AA1HSP90AB1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL445761 0.73 HSP90AA1 (0.59) HSP90AA1HSP90AB1MAPTSMN1; SMN2ALDH1A1
SCHEMBL448046 0.72 HSP90AA1 (0.56) HSP90AA1HSP90AB1MAPTSMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680100-B2 Sulfonylhydrazide compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2014-03-25 US disclosed
US-20120065206-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-03-15 US disclosed
EP-2370402-A2 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS Synta Pharmaceuticals Corp. (US) 2011-10-05 EP disclosed
WO-2010065512-A2 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2010-06-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120065206-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS PKD1, PKD2, PCNA HSP90AA1 2300/4885HSP90AB1 1711/4885MAPT 1547/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.